3-[4-[(4-methoxy-3-sulfamoyl-phenyl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-methoxy-3-sulfamoyl-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(4-methoxy-3-sulfamoyl-phenyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(4-methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-methoxy-3-sulfamoylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4-methoxy-3-sulfamoyl-phenyl)sulfamoyl]phenyl]propionic acid Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H18N2O7S2/c1-25-14-8-5-12(10-15(14)26(17,21)22)18-27(23,24)13-6-2-11(3-7-13)4-9-16(19)20/h2-3,5-8,10,18H,4,9H2,1H3,(H,19,20)(H2,17,21,22)